SCHEMBL1272467

SCHEMBL1272467

O=C(O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSL P07711 6/20 0.49
CTSS P25774 6/20 0.49
CTSB P07858 5/20 0.49
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
CA2 P00918 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3986964 0.84 CTSS (0.67) CTSKCTSLCTSSCTSB
SCHEMBL13584665 0.84 CTSS (0.67) CTSKCTSLCTSSCTSB
SCHEMBL3986961 0.84 CTSS (0.67) CTSKCTSLCTSSCTSB
SCHEMBL1272517 0.81 CTSS (0.77) CTSKCTSLCTSSCTSB
SCHEMBL1272966 0.81 CTSS (0.77) CTSKCTSLCTSSCTSB
SCHEMBL2394902 0.80 CTSS (0.58) CTSKCTSLCTSSCTSB
SCHEMBL2394907 0.80 CTSS (0.58) CTSKCTSLCTSSCTSB
SCHEMBL2396417 0.78 CTSS (0.55) CTSKCTSLCTSSCTSB
SCHEMBL2396420 0.78 CTSS (0.55) CTSKCTSLCTSSCTSB
SCHEMBL3981903 0.74 CTSL (0.68) CTSKCTSLCTSSCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP disclosed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US disclosed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 US disclosed
EP-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSK 8/4885CTSL 10/4885CTSS 1/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB CTSK 8/4885CTSL 10/4885CTSS 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.